Skip to main content
guest
Join
|
Help
|
Sign In
CompChemMPI
Home
guest
|
Join
|
Help
|
Sign In
CompChemMPI
Wiki Home
Recent Changes
Pages and Files
Members
Home
3DRISM for complexes
Analysis tools
Bad computational habits
Banned software
Colloid and interface science
Conferences
Consistent Terminology for Solvation
Cube4D
Databases
Document editing
Documents, Articles etc
Force fields
Gallery
Gettting Things Done
Graphics editing
High Performance Computing (HPC) info
Hints&Tricks
How to hand in PhD thesis in Duisburg-Essen
How To Write Good
Institutions
Ionic liquids
Job offers
Linux must know
Management - General
Manipulating Gromacs tools and core code
Manual on Computational Physical Chemistry of Ionic liquids at Interfaces
MD theory
MolDB
Molecular descriptors
NMR
Our web-page
Program installation and setup
ProjectPlan
QM Theory and Software
R
Raman spectroscopy
RemoteAccess
RISM-FF
RISM-MOL
RISM-MOL-3D
RISM-MOL-Tools
RISM-VMol
Rules
Salt solution
Scripts
Theory
Time&Task Management
Transmission electron microscopy
Useful Articles on Improving Productivity
Useful links
UserPolicy
Visualisation
WeekPlanOunceIrbis
Working with Matlab
X-ray and SANS
QM Theory and Software
Edit
0
6
…
0
Tags
No tags
Notify
RSS
Backlinks
Source
Print
Export (PDF)
Software
Jaguar
Calculate hydration free energy using SM8 or SM6
NWChem----
Main Page of NWChem
Nice introduction to NWChem
NWChem 2007 meeting (with slides and video)
See also, SCRIPTS for processing QM data
Javascript Required
You need to enable Javascript in your browser to edit pages.
help on how to format text
Turn off "Getting Started"
Home
...
Loading...
Software